Calcium in PDB 5hdb: Integrin ALPHAIIBBETA3 in Complex with Ro-435054
Protein crystallography data
The structure of Integrin ALPHAIIBBETA3 in Complex with Ro-435054, PDB code: 5hdb
was solved by
F.Y.Lin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.01 /
2.70
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
259.346,
144.439,
104.901,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
21.2 /
23.8
|
Other elements in 5hdb:
The structure of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Calcium atom in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
(pdb code 5hdb). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the
Integrin ALPHAIIBBETA3 in Complex with Ro-435054, PDB code: 5hdb:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 1 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca505
b:62.7
occ:1.00
|
O
|
A:THR250
|
2.3
|
57.8
|
1.0
|
|
OE2
|
A:GLU243
|
2.3
|
59.7
|
1.0
|
|
OG1
|
A:THR250
|
2.4
|
66.0
|
1.0
|
|
O
|
A:ASP247
|
2.4
|
62.1
|
1.0
|
|
OE1
|
A:GLU252
|
2.4
|
56.0
|
1.0
|
|
OE2
|
A:GLU252
|
2.4
|
58.3
|
1.0
|
|
OD1
|
A:ASP245
|
2.4
|
63.9
|
1.0
|
|
OE1
|
A:GLU243
|
2.4
|
58.2
|
1.0
|
|
CD
|
A:GLU243
|
2.7
|
58.8
|
1.0
|
|
CD
|
A:GLU252
|
2.7
|
57.0
|
1.0
|
|
OD2
|
A:ASP245
|
3.0
|
59.7
|
1.0
|
|
CG
|
A:ASP245
|
3.0
|
61.6
|
1.0
|
|
C
|
A:THR250
|
3.1
|
59.9
|
1.0
|
|
H
|
A:THR250
|
3.5
|
83.1
|
1.0
|
|
HB3
|
A:ASP247
|
3.5
|
79.5
|
1.0
|
|
CB
|
A:THR250
|
3.5
|
70.9
|
1.0
|
|
C
|
A:ASP247
|
3.5
|
64.1
|
1.0
|
|
H
|
A:ASP247
|
3.6
|
77.6
|
1.0
|
|
H
|
A:ASP245
|
3.7
|
82.8
|
1.0
|
|
CA
|
A:THR250
|
3.7
|
64.7
|
1.0
|
|
HB
|
A:THR250
|
3.8
|
85.1
|
1.0
|
|
HA
|
A:GLU243
|
3.9
|
65.9
|
1.0
|
|
N
|
A:THR250
|
4.0
|
69.3
|
1.0
|
|
HA
|
A:THR251
|
4.0
|
84.0
|
1.0
|
|
N
|
A:THR251
|
4.1
|
69.5
|
1.0
|
|
N
|
A:ASP247
|
4.1
|
64.7
|
1.0
|
|
H
|
A:PHE244
|
4.1
|
66.3
|
1.0
|
|
CA
|
A:ASP247
|
4.2
|
65.5
|
1.0
|
|
CG
|
A:GLU243
|
4.2
|
61.0
|
1.0
|
|
CG
|
A:GLU252
|
4.2
|
56.4
|
1.0
|
|
CB
|
A:ASP247
|
4.2
|
66.3
|
1.0
|
|
CB
|
A:ASP245
|
4.3
|
68.6
|
1.0
|
|
HA
|
A:LEU248
|
4.4
|
77.1
|
1.0
|
|
H
|
A:GLU252
|
4.4
|
67.3
|
1.0
|
|
CA
|
A:THR251
|
4.5
|
70.0
|
1.0
|
|
N
|
A:ASP245
|
4.5
|
69.0
|
1.0
|
|
H
|
A:GLY246
|
4.5
|
87.2
|
1.0
|
|
HG3
|
A:GLU243
|
4.5
|
73.2
|
1.0
|
|
HG2
|
A:GLU252
|
4.6
|
67.6
|
1.0
|
|
HG3
|
A:GLU252
|
4.6
|
67.6
|
1.0
|
|
N
|
A:GLU252
|
4.6
|
56.1
|
1.0
|
|
N
|
A:LEU248
|
4.6
|
65.3
|
1.0
|
|
O
|
A:HOH690
|
4.6
|
43.5
|
1.0
|
|
HB3
|
A:ASP245
|
4.6
|
82.3
|
1.0
|
|
HA
|
A:THR250
|
4.6
|
77.6
|
1.0
|
|
CA
|
A:GLU243
|
4.7
|
54.9
|
1.0
|
|
HG2
|
A:GLU243
|
4.7
|
73.2
|
1.0
|
|
C
|
A:THR251
|
4.7
|
66.7
|
1.0
|
|
CG2
|
A:THR250
|
4.7
|
80.6
|
1.0
|
|
N
|
A:PHE244
|
4.8
|
55.2
|
1.0
|
|
H
|
A:THR251
|
4.8
|
83.4
|
1.0
|
|
HG23
|
A:THR250
|
4.8
|
96.7
|
1.0
|
|
N
|
A:GLY246
|
4.8
|
72.6
|
1.0
|
|
CB
|
A:GLU243
|
4.8
|
56.5
|
1.0
|
|
CA
|
A:ASP245
|
4.9
|
71.3
|
1.0
|
|
CA
|
A:LEU248
|
4.9
|
64.2
|
1.0
|
|
HB2
|
A:GLU243
|
4.9
|
67.8
|
1.0
|
|
HB2
|
A:GLU252
|
4.9
|
65.8
|
1.0
|
|
HB2
|
A:ASP247
|
5.0
|
79.5
|
1.0
|
|
HG21
|
A:THR250
|
5.0
|
96.7
|
1.0
|
|
HB2
|
A:ASP245
|
5.0
|
82.3
|
1.0
|
|
Calcium binding site 2 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 2 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:68.1
occ:1.00
|
O
|
A:ARG303
|
2.3
|
49.1
|
1.0
|
|
OD1
|
A:ASN299
|
2.3
|
51.4
|
1.0
|
|
OD1
|
A:ASP297
|
2.4
|
50.1
|
1.0
|
|
O
|
A:HOH601
|
2.4
|
54.1
|
1.0
|
|
OD2
|
A:ASP305
|
2.4
|
68.5
|
1.0
|
|
OD1
|
A:ASP305
|
2.4
|
46.5
|
1.0
|
|
OD1
|
A:ASP301
|
2.5
|
54.5
|
1.0
|
|
CG
|
A:ASP305
|
2.7
|
51.4
|
1.0
|
|
CG
|
A:ASP301
|
3.3
|
56.8
|
1.0
|
|
CG
|
A:ASN299
|
3.4
|
53.1
|
1.0
|
|
HB2
|
A:ARG303
|
3.4
|
65.0
|
1.0
|
|
OD2
|
A:ASP301
|
3.4
|
56.9
|
1.0
|
|
C
|
A:ARG303
|
3.4
|
50.1
|
1.0
|
|
HD21
|
A:ASN299
|
3.5
|
65.7
|
1.0
|
|
HA
|
A:ASP297
|
3.5
|
55.4
|
1.0
|
|
CG
|
A:ASP297
|
3.5
|
50.4
|
1.0
|
|
H
|
A:ASN299
|
3.6
|
60.2
|
1.0
|
|
H
|
A:ARG303
|
3.7
|
65.4
|
1.0
|
|
H
|
A:VAL298
|
3.8
|
55.0
|
1.0
|
|
H
|
A:ASP301
|
3.8
|
69.3
|
1.0
|
|
ND2
|
A:ASN299
|
3.8
|
54.8
|
1.0
|
|
HD22
|
A:LEU332
|
4.0
|
56.6
|
1.0
|
|
H
|
A:GLN333
|
4.1
|
58.2
|
1.0
|
|
CA
|
A:ARG303
|
4.1
|
53.1
|
1.0
|
|
CB
|
A:ARG303
|
4.1
|
54.2
|
1.0
|
|
CB
|
A:ASP305
|
4.2
|
42.6
|
1.0
|
|
N
|
A:ARG303
|
4.2
|
54.5
|
1.0
|
|
CA
|
A:ASP297
|
4.2
|
46.1
|
1.0
|
|
CB
|
A:ASP297
|
4.3
|
48.6
|
1.0
|
|
C
|
A:HIS304
|
4.3
|
45.3
|
1.0
|
|
HB2
|
A:ASP297
|
4.3
|
58.3
|
1.0
|
|
N
|
A:ASP305
|
4.3
|
43.5
|
1.0
|
|
N
|
A:VAL298
|
4.4
|
45.9
|
1.0
|
|
N
|
A:ASN299
|
4.4
|
50.2
|
1.0
|
|
O
|
A:HIS304
|
4.4
|
46.2
|
1.0
|
|
HB3
|
A:GLN333
|
4.4
|
60.1
|
1.0
|
|
OD2
|
A:ASP297
|
4.4
|
52.7
|
1.0
|
|
HB3
|
A:ARG303
|
4.5
|
65.0
|
1.0
|
|
HG22
|
A:VAL298
|
4.5
|
53.7
|
1.0
|
|
H
|
A:ASP305
|
4.5
|
52.2
|
1.0
|
|
N
|
A:HIS304
|
4.5
|
49.1
|
1.0
|
|
HD23
|
A:LEU332
|
4.5
|
56.6
|
1.0
|
|
HB2
|
A:ASP305
|
4.6
|
51.1
|
1.0
|
|
N
|
A:ASP301
|
4.6
|
57.8
|
1.0
|
|
H
|
A:GLY300
|
4.6
|
74.1
|
1.0
|
|
HA
|
A:HIS304
|
4.7
|
56.0
|
1.0
|
|
CB
|
A:ASP301
|
4.7
|
60.1
|
1.0
|
|
HB3
|
A:ASP305
|
4.7
|
51.1
|
1.0
|
|
HD22
|
A:ASN299
|
4.7
|
65.7
|
1.0
|
|
HB3
|
A:LEU332
|
4.7
|
59.0
|
1.0
|
|
CB
|
A:ASN299
|
4.7
|
54.0
|
1.0
|
|
CA
|
A:ASP305
|
4.7
|
42.4
|
1.0
|
|
C
|
A:ASP297
|
4.7
|
46.4
|
1.0
|
|
CD2
|
A:LEU332
|
4.7
|
47.1
|
1.0
|
|
HA
|
A:LEU332
|
4.7
|
56.1
|
1.0
|
|
CA
|
A:HIS304
|
4.8
|
46.6
|
1.0
|
|
HA
|
A:ASP305
|
4.8
|
50.8
|
1.0
|
|
N
|
A:GLN333
|
4.8
|
48.5
|
1.0
|
|
N
|
A:GLY300
|
4.9
|
61.8
|
1.0
|
|
CA
|
A:ASN299
|
4.9
|
53.3
|
1.0
|
|
Calcium binding site 3 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 3 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca507
b:79.5
occ:1.00
|
O
|
A:TYR371
|
2.2
|
48.4
|
1.0
|
|
O
|
A:HOH641
|
2.3
|
35.2
|
1.0
|
|
OD1
|
A:ASP365
|
2.3
|
48.2
|
1.0
|
|
OD1
|
A:ASP367
|
2.4
|
61.5
|
1.0
|
|
OD1
|
A:ASP369
|
2.4
|
55.0
|
1.0
|
|
OD1
|
A:ASP373
|
2.4
|
46.7
|
1.0
|
|
OD2
|
A:ASP373
|
2.4
|
58.7
|
1.0
|
|
CG
|
A:ASP373
|
2.7
|
48.5
|
1.0
|
|
HA
|
A:ASP365
|
3.3
|
55.0
|
1.0
|
|
H
|
A:ASP367
|
3.4
|
54.2
|
1.0
|
|
H
|
A:LEU366
|
3.4
|
55.5
|
1.0
|
|
C
|
A:TYR371
|
3.4
|
49.5
|
1.0
|
|
CG
|
A:ASP369
|
3.5
|
51.9
|
1.0
|
|
H
|
A:ASP369
|
3.5
|
62.4
|
1.0
|
|
CG
|
A:ASP365
|
3.5
|
49.1
|
1.0
|
|
CG
|
A:ASP367
|
3.5
|
47.5
|
1.0
|
|
H
|
A:TYR371
|
3.6
|
63.6
|
1.0
|
|
HD22
|
A:LEU393
|
3.7
|
52.4
|
1.0
|
|
HB2
|
A:TYR371
|
3.8
|
62.8
|
1.0
|
|
H
|
A:ARG368
|
3.9
|
58.2
|
1.0
|
|
H
|
A:GLY394
|
3.9
|
57.3
|
1.0
|
|
N
|
A:LEU366
|
4.0
|
46.2
|
1.0
|
|
OD2
|
A:ASP369
|
4.0
|
52.3
|
1.0
|
|
OD2
|
A:ASP367
|
4.0
|
48.7
|
1.0
|
|
CA
|
A:ASP365
|
4.0
|
45.9
|
1.0
|
|
HA
|
A:ASN372
|
4.1
|
56.3
|
1.0
|
|
N
|
A:ASP367
|
4.2
|
45.1
|
1.0
|
|
N
|
A:TYR371
|
4.2
|
53.0
|
1.0
|
|
CB
|
A:ASP373
|
4.3
|
42.4
|
1.0
|
|
CA
|
A:TYR371
|
4.3
|
52.0
|
1.0
|
|
OD2
|
A:ASP365
|
4.3
|
51.3
|
1.0
|
|
HB3
|
A:LEU393
|
4.3
|
54.8
|
1.0
|
|
N
|
A:ASP369
|
4.4
|
52.0
|
1.0
|
|
C
|
A:ASP365
|
4.4
|
44.9
|
1.0
|
|
C
|
A:ASN372
|
4.4
|
45.7
|
1.0
|
|
CB
|
A:ASP365
|
4.4
|
47.9
|
1.0
|
|
N
|
A:ASN372
|
4.4
|
49.0
|
1.0
|
|
N
|
A:ARG368
|
4.4
|
48.5
|
1.0
|
|
CB
|
A:TYR371
|
4.5
|
52.3
|
1.0
|
|
N
|
A:ASP373
|
4.5
|
43.9
|
1.0
|
|
CA
|
A:ASN372
|
4.5
|
47.0
|
1.0
|
|
CD2
|
A:LEU393
|
4.5
|
43.6
|
1.0
|
|
HD23
|
A:LEU393
|
4.6
|
52.4
|
1.0
|
|
HB3
|
A:LEU366
|
4.6
|
51.0
|
1.0
|
|
CB
|
A:ASP369
|
4.6
|
53.4
|
1.0
|
|
H
|
A:GLY370
|
4.7
|
65.3
|
1.0
|
|
HB2
|
A:ASP373
|
4.7
|
50.8
|
1.0
|
|
N
|
A:GLY394
|
4.7
|
47.7
|
1.0
|
|
O
|
A:ASN372
|
4.7
|
46.4
|
1.0
|
|
H
|
A:ASP373
|
4.7
|
52.7
|
1.0
|
|
HB3
|
A:ASP373
|
4.7
|
50.8
|
1.0
|
|
CB
|
A:ASP367
|
4.7
|
47.0
|
1.0
|
|
HA
|
A:LEU393
|
4.8
|
53.5
|
1.0
|
|
HB3
|
A:ASP369
|
4.8
|
64.1
|
1.0
|
|
O
|
A:GLY364
|
4.8
|
43.4
|
1.0
|
|
CA
|
A:ASP367
|
4.8
|
46.6
|
1.0
|
|
HB2
|
A:ASP365
|
4.9
|
57.5
|
1.0
|
|
HB3
|
A:TYR371
|
4.9
|
62.8
|
1.0
|
|
CA
|
A:LEU366
|
4.9
|
43.0
|
1.0
|
|
C
|
A:ASP367
|
4.9
|
48.4
|
1.0
|
|
CA
|
A:ASP373
|
4.9
|
42.8
|
1.0
|
|
CA
|
A:ASP369
|
5.0
|
54.0
|
1.0
|
|
Calcium binding site 4 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 4 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca508
b:38.8
occ:1.00
|
OD1
|
A:ASP426
|
2.3
|
45.5
|
1.0
|
|
OD1
|
A:ASP428
|
2.3
|
45.0
|
1.0
|
|
O
|
A:TYR432
|
2.3
|
43.7
|
1.0
|
|
OD1
|
A:ASN430
|
2.3
|
46.0
|
1.0
|
|
OD1
|
A:ASP434
|
2.4
|
41.4
|
1.0
|
|
OD2
|
A:ASP434
|
2.4
|
52.8
|
1.0
|
|
O
|
A:HOH602
|
2.4
|
35.4
|
1.0
|
|
CG
|
A:ASP434
|
2.7
|
46.1
|
1.0
|
|
CG
|
A:ASP428
|
3.3
|
45.5
|
1.0
|
|
H
|
A:TYR432
|
3.4
|
56.1
|
1.0
|
|
CG
|
A:ASN430
|
3.4
|
46.9
|
1.0
|
|
HA
|
A:ASP426
|
3.4
|
58.8
|
1.0
|
|
CG
|
A:ASP426
|
3.5
|
46.4
|
1.0
|
|
C
|
A:TYR432
|
3.5
|
44.0
|
1.0
|
|
H
|
A:ASN430
|
3.5
|
58.8
|
1.0
|
|
HB2
|
A:TYR432
|
3.6
|
54.0
|
1.0
|
|
H
|
A:ASP428
|
3.6
|
54.7
|
1.0
|
|
OD2
|
A:ASP428
|
3.6
|
48.3
|
1.0
|
|
H
|
A:ALA450
|
3.8
|
44.6
|
1.0
|
|
H
|
A:ILE427
|
3.9
|
52.8
|
1.0
|
|
HD21
|
A:ASN430
|
3.9
|
55.9
|
1.0
|
|
HB3
|
A:ALA450
|
4.0
|
42.3
|
1.0
|
|
ND2
|
A:ASN430
|
4.0
|
46.6
|
1.0
|
|
N
|
A:TYR432
|
4.1
|
46.7
|
1.0
|
|
CA
|
A:TYR432
|
4.1
|
45.4
|
1.0
|
|
CB
|
A:ASP434
|
4.1
|
45.4
|
1.0
|
|
H
|
A:ASP429
|
4.2
|
57.8
|
1.0
|
|
O
|
A:ALA450
|
4.2
|
38.6
|
1.0
|
|
CA
|
A:ASP426
|
4.2
|
49.0
|
1.0
|
|
CB
|
A:TYR432
|
4.3
|
45.0
|
1.0
|
|
HG2
|
A:ARG449
|
4.3
|
54.8
|
1.0
|
|
OD2
|
A:ASP426
|
4.3
|
48.0
|
1.0
|
|
CB
|
A:ASP426
|
4.3
|
47.2
|
1.0
|
|
N
|
A:ASN430
|
4.4
|
49.0
|
1.0
|
|
N
|
A:ILE427
|
4.4
|
44.0
|
1.0
|
|
HB3
|
A:ASN430
|
4.4
|
58.2
|
1.0
|
|
N
|
A:ASP428
|
4.4
|
45.6
|
1.0
|
|
HA
|
A:PRO433
|
4.4
|
59.3
|
1.0
|
|
CB
|
A:ASN430
|
4.4
|
48.5
|
1.0
|
|
N
|
A:ASP434
|
4.5
|
47.2
|
1.0
|
|
N
|
A:ALA450
|
4.5
|
37.1
|
1.0
|
|
C
|
A:PRO433
|
4.5
|
43.6
|
1.0
|
|
HB2
|
A:ASP426
|
4.5
|
56.6
|
1.0
|
|
HG22
|
A:ILE427
|
4.5
|
51.1
|
1.0
|
|
HB2
|
A:ASP434
|
4.5
|
54.5
|
1.0
|
|
N
|
A:PRO433
|
4.5
|
48.8
|
1.0
|
|
H
|
A:ASP434
|
4.6
|
56.6
|
1.0
|
|
HB3
|
A:TYR432
|
4.6
|
54.0
|
1.0
|
|
C
|
A:ASP426
|
4.6
|
51.1
|
1.0
|
|
CB
|
A:ASP428
|
4.6
|
46.3
|
1.0
|
|
N
|
A:ASP429
|
4.7
|
48.2
|
1.0
|
|
HA
|
A:ARG449
|
4.7
|
47.3
|
1.0
|
|
HB3
|
A:ASP434
|
4.7
|
54.5
|
1.0
|
|
CA
|
A:PRO433
|
4.7
|
49.4
|
1.0
|
|
H
|
A:GLY431
|
4.7
|
69.0
|
1.0
|
|
HB3
|
A:ARG449
|
4.8
|
49.3
|
1.0
|
|
CA
|
A:ASP434
|
4.8
|
45.4
|
1.0
|
|
HA
|
A:ASP434
|
4.8
|
54.5
|
1.0
|
|
CA
|
A:ASN430
|
4.8
|
49.6
|
1.0
|
|
HD22
|
A:ASN430
|
4.8
|
55.9
|
1.0
|
|
CB
|
A:ALA450
|
4.9
|
35.2
|
1.0
|
|
O
|
A:PRO433
|
4.9
|
40.7
|
1.0
|
|
CA
|
A:ASP428
|
4.9
|
46.9
|
1.0
|
|
N
|
A:GLY431
|
5.0
|
57.5
|
1.0
|
|
Calcium binding site 5 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 5 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:31.4
occ:1.00
|
OD1
|
B:ASN215
|
2.2
|
50.2
|
1.0
|
|
O
|
B:PRO219
|
2.2
|
41.6
|
1.0
|
|
OD1
|
B:ASP217
|
2.3
|
45.6
|
1.0
|
|
OD2
|
B:ASP158
|
2.4
|
40.9
|
1.0
|
|
OE1
|
B:GLU220
|
2.4
|
42.7
|
1.0
|
|
O
|
B:ASP217
|
2.5
|
49.9
|
1.0
|
|
HA
|
B:GLU220
|
2.9
|
62.6
|
1.0
|
|
C
|
B:PRO219
|
3.3
|
41.7
|
1.0
|
|
CG
|
B:ASN215
|
3.3
|
49.0
|
1.0
|
|
HB2
|
B:ASP158
|
3.3
|
49.4
|
1.0
|
|
CG
|
B:ASP217
|
3.3
|
43.4
|
1.0
|
|
CG
|
B:ASP158
|
3.4
|
40.5
|
1.0
|
|
C
|
B:ASP217
|
3.5
|
44.8
|
1.0
|
|
CD
|
B:GLU220
|
3.5
|
44.0
|
1.0
|
|
HE2
|
B:HIS255
|
3.6
|
48.6
|
1.0
|
|
HD21
|
B:ASN215
|
3.6
|
68.6
|
1.0
|
|
CB
|
B:ASP158
|
3.8
|
41.2
|
1.0
|
|
CA
|
B:GLU220
|
3.8
|
52.2
|
1.0
|
|
H
|
B:ASP217
|
3.8
|
54.6
|
1.0
|
|
ND2
|
B:ASN215
|
3.9
|
57.2
|
1.0
|
|
OD2
|
B:ASP217
|
3.9
|
42.1
|
1.0
|
|
HB3
|
B:ASP158
|
3.9
|
49.4
|
1.0
|
|
N
|
B:GLU220
|
3.9
|
46.3
|
1.0
|
|
HD2
|
B:HIS255
|
4.1
|
48.0
|
1.0
|
|
C
|
B:ALA218
|
4.2
|
44.1
|
1.0
|
|
HB3
|
B:TYR164
|
4.2
|
51.1
|
1.0
|
|
N
|
B:ASP217
|
4.2
|
45.5
|
1.0
|
|
CA
|
B:ASP217
|
4.2
|
45.1
|
1.0
|
|
O
|
B:ALA218
|
4.2
|
46.1
|
1.0
|
|
OE2
|
B:GLU220
|
4.2
|
44.4
|
1.0
|
|
NE2
|
B:HIS255
|
4.2
|
40.5
|
1.0
|
|
N
|
B:PRO219
|
4.3
|
43.3
|
1.0
|
|
HB2
|
B:ASN215
|
4.3
|
54.1
|
1.0
|
|
CB
|
B:ASP217
|
4.4
|
44.5
|
1.0
|
|
CA
|
B:PRO219
|
4.4
|
42.3
|
1.0
|
|
HD2
|
B:PRO219
|
4.4
|
52.1
|
1.0
|
|
CB
|
B:ASN215
|
4.5
|
45.1
|
1.0
|
|
CD2
|
B:HIS255
|
4.5
|
40.0
|
1.0
|
|
CG
|
B:GLU220
|
4.5
|
53.2
|
1.0
|
|
HD1
|
B:TYR164
|
4.5
|
49.9
|
1.0
|
|
N
|
B:ALA218
|
4.5
|
45.3
|
1.0
|
|
OD1
|
B:ASP158
|
4.5
|
39.9
|
1.0
|
|
CB
|
B:GLU220
|
4.5
|
55.9
|
1.0
|
|
HG2
|
B:GLU220
|
4.6
|
63.9
|
1.0
|
|
H
|
B:GLY221
|
4.6
|
54.7
|
1.0
|
|
HB3
|
B:GLU220
|
4.6
|
67.1
|
1.0
|
|
HD22
|
B:ASN215
|
4.7
|
68.6
|
1.0
|
|
H
|
B:GLU220
|
4.8
|
55.5
|
1.0
|
|
CA
|
B:ALA218
|
4.8
|
45.4
|
1.0
|
|
HB2
|
B:PRO219
|
4.8
|
50.3
|
1.0
|
|
HA
|
B:ALA218
|
4.8
|
54.5
|
1.0
|
|
C
|
B:GLU220
|
4.9
|
50.2
|
1.0
|
|
H161
|
B:5YB2011
|
4.9
|
75.8
|
1.0
|
|
HB3
|
B:ASN215
|
4.9
|
54.1
|
1.0
|
|
HB2
|
B:ASP217
|
4.9
|
53.4
|
1.0
|
|
CD
|
B:PRO219
|
4.9
|
43.4
|
1.0
|
|
H
|
B:ARG216
|
4.9
|
56.0
|
1.0
|
|
HB3
|
B:ASP217
|
5.0
|
53.4
|
1.0
|
|
Calcium binding site 6 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 6 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca505
b:0.9
occ:1.00
|
OD1
|
C:ASP245
|
2.3
|
96.9
|
1.0
|
|
OE2
|
C:GLU243
|
2.4
|
95.3
|
1.0
|
|
OE1
|
C:GLU252
|
2.4
|
90.2
|
1.0
|
|
O
|
C:ASP247
|
2.4
|
0.5
|
1.0
|
|
OG1
|
C:THR250
|
2.4
|
0.6
|
1.0
|
|
O
|
C:THR250
|
2.4
|
96.6
|
1.0
|
|
OE2
|
C:GLU252
|
2.4
|
91.6
|
1.0
|
|
OE1
|
C:GLU243
|
2.4
|
92.0
|
1.0
|
|
CD
|
C:GLU243
|
2.7
|
93.2
|
1.0
|
|
CD
|
C:GLU252
|
2.7
|
90.0
|
1.0
|
|
C
|
C:THR250
|
3.0
|
0.5
|
1.0
|
|
CG
|
C:ASP245
|
3.2
|
98.0
|
1.0
|
|
CB
|
C:THR250
|
3.5
|
0.6
|
1.0
|
|
OD2
|
C:ASP245
|
3.5
|
99.4
|
1.0
|
|
C
|
C:ASP247
|
3.6
|
0.5
|
1.0
|
|
HA
|
C:THR251
|
3.6
|
0.9
|
1.0
|
|
CA
|
C:THR250
|
3.6
|
0.9
|
1.0
|
|
H
|
C:THR250
|
3.7
|
0.0
|
1.0
|
|
HB
|
C:THR250
|
3.8
|
0.5
|
1.0
|
|
H
|
C:ASP245
|
3.8
|
0.3
|
1.0
|
|
N
|
C:THR251
|
3.8
|
98.1
|
1.0
|
|
HB3
|
C:ASP247
|
3.8
|
0.2
|
1.0
|
|
HA
|
C:GLU243
|
3.8
|
0.5
|
1.0
|
|
H
|
C:GLU252
|
3.9
|
0.4
|
1.0
|
|
N
|
C:THR250
|
4.0
|
0.2
|
1.0
|
|
H
|
C:PHE244
|
4.1
|
0.9
|
1.0
|
|
HA
|
C:LEU248
|
4.1
|
0.4
|
1.0
|
|
CA
|
C:THR251
|
4.1
|
92.4
|
1.0
|
|
CG
|
C:GLU243
|
4.2
|
92.1
|
1.0
|
|
H
|
C:ASP247
|
4.2
|
0.7
|
1.0
|
|
CG
|
C:GLU252
|
4.2
|
88.2
|
1.0
|
|
N
|
C:GLU252
|
4.3
|
84.5
|
1.0
|
|
N
|
C:ASP247
|
4.4
|
0.3
|
1.0
|
|
CA
|
C:ASP247
|
4.4
|
0.6
|
1.0
|
|
H
|
C:THR251
|
4.4
|
0.8
|
1.0
|
|
CB
|
C:ASP245
|
4.5
|
97.9
|
1.0
|
|
HG3
|
C:GLU243
|
4.5
|
0.5
|
1.0
|
|
HA
|
C:THR250
|
4.5
|
0.1
|
1.0
|
|
N
|
C:LEU248
|
4.6
|
0.7
|
1.0
|
|
C
|
C:THR251
|
4.6
|
85.3
|
1.0
|
|
CB
|
C:ASP247
|
4.6
|
0.0
|
1.0
|
|
N
|
C:ASP245
|
4.6
|
0.1
|
1.0
|
|
H
|
C:GLY246
|
4.6
|
0.4
|
1.0
|
|
HG3
|
C:GLU252
|
4.6
|
0.8
|
1.0
|
|
HG2
|
C:GLU252
|
4.6
|
0.8
|
1.0
|
|
CA
|
C:LEU248
|
4.7
|
0.1
|
1.0
|
|
CA
|
C:GLU243
|
4.7
|
86.2
|
1.0
|
|
HB3
|
C:ASP245
|
4.7
|
0.5
|
1.0
|
|
HG2
|
C:GLU243
|
4.7
|
0.5
|
1.0
|
|
CG2
|
C:THR250
|
4.7
|
0.5
|
1.0
|
|
N
|
C:PHE244
|
4.8
|
88.2
|
1.0
|
|
HB2
|
C:GLU243
|
4.8
|
0.1
|
1.0
|
|
CB
|
C:GLU243
|
4.8
|
88.4
|
1.0
|
|
HG23
|
C:THR250
|
4.8
|
0.4
|
1.0
|
|
HB2
|
C:GLU252
|
4.8
|
0.2
|
1.0
|
|
C
|
C:LEU248
|
4.8
|
0.7
|
1.0
|
|
N
|
C:GLY246
|
4.9
|
0.3
|
1.0
|
|
CA
|
C:ASP245
|
5.0
|
0.3
|
1.0
|
|
C
|
C:ASN249
|
5.0
|
0.9
|
1.0
|
|
HG21
|
C:THR250
|
5.0
|
0.4
|
1.0
|
|
Calcium binding site 7 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 7 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca506
b:67.6
occ:1.00
|
OD1
|
C:ASN299
|
2.3
|
87.3
|
1.0
|
|
O
|
C:ARG303
|
2.3
|
86.0
|
1.0
|
|
OD1
|
C:ASP297
|
2.4
|
85.8
|
1.0
|
|
OD2
|
C:ASP305
|
2.4
|
96.3
|
1.0
|
|
OD1
|
C:ASP301
|
2.4
|
93.3
|
1.0
|
|
OD1
|
C:ASP305
|
2.4
|
98.1
|
1.0
|
|
O
|
C:HOH604
|
2.5
|
74.3
|
1.0
|
|
CG
|
C:ASP305
|
2.7
|
88.8
|
1.0
|
|
OD2
|
C:ASP301
|
3.0
|
95.5
|
1.0
|
|
CG
|
C:ASP301
|
3.1
|
96.0
|
1.0
|
|
HD21
|
C:ASN299
|
3.3
|
0.9
|
1.0
|
|
CG
|
C:ASN299
|
3.3
|
88.5
|
1.0
|
|
C
|
C:ARG303
|
3.4
|
87.8
|
1.0
|
|
HB2
|
C:ARG303
|
3.5
|
0.9
|
1.0
|
|
HA
|
C:ASP297
|
3.5
|
94.5
|
1.0
|
|
CG
|
C:ASP297
|
3.5
|
86.1
|
1.0
|
|
H
|
C:ASN299
|
3.6
|
99.2
|
1.0
|
|
ND2
|
C:ASN299
|
3.7
|
90.8
|
1.0
|
|
H
|
C:ARG303
|
3.7
|
0.8
|
1.0
|
|
H
|
C:ASP301
|
3.8
|
0.1
|
1.0
|
|
H
|
C:VAL298
|
3.9
|
92.3
|
1.0
|
|
HD22
|
C:LEU332
|
4.1
|
95.7
|
1.0
|
|
N
|
C:ARG303
|
4.1
|
94.8
|
1.0
|
|
CA
|
C:ARG303
|
4.1
|
92.8
|
1.0
|
|
CB
|
C:ARG303
|
4.2
|
94.9
|
1.0
|
|
CB
|
C:ASP305
|
4.2
|
75.3
|
1.0
|
|
CA
|
C:ASP297
|
4.2
|
78.8
|
1.0
|
|
C
|
C:HIS304
|
4.3
|
80.0
|
1.0
|
|
H
|
C:GLN333
|
4.3
|
0.8
|
1.0
|
|
CB
|
C:ASP297
|
4.3
|
82.8
|
1.0
|
|
O
|
C:HIS304
|
4.3
|
82.2
|
1.0
|
|
HB2
|
C:ASP297
|
4.3
|
99.4
|
1.0
|
|
N
|
C:ASN299
|
4.4
|
82.7
|
1.0
|
|
OD2
|
C:ASP297
|
4.4
|
89.3
|
1.0
|
|
N
|
C:ASP305
|
4.4
|
81.9
|
1.0
|
|
N
|
C:VAL298
|
4.4
|
76.9
|
1.0
|
|
HB3
|
C:GLN333
|
4.5
|
1.0
|
1.0
|
|
N
|
C:HIS304
|
4.5
|
85.9
|
1.0
|
|
CB
|
C:ASP301
|
4.5
|
0.8
|
1.0
|
|
HD22
|
C:ASN299
|
4.5
|
0.9
|
1.0
|
|
HA
|
C:HIS304
|
4.6
|
97.9
|
1.0
|
|
HG22
|
C:VAL298
|
4.6
|
92.0
|
1.0
|
|
CB
|
C:ASN299
|
4.6
|
88.0
|
1.0
|
|
HB3
|
C:ARG303
|
4.6
|
0.9
|
1.0
|
|
HB2
|
C:ASP305
|
4.6
|
90.4
|
1.0
|
|
N
|
C:ASP301
|
4.6
|
96.7
|
1.0
|
|
HB3
|
C:ASP305
|
4.7
|
90.4
|
1.0
|
|
H
|
C:ASP305
|
4.7
|
98.2
|
1.0
|
|
C
|
C:ASP297
|
4.7
|
78.1
|
1.0
|
|
CA
|
C:HIS304
|
4.7
|
81.6
|
1.0
|
|
HD23
|
C:LEU332
|
4.7
|
95.7
|
1.0
|
|
H
|
C:GLY302
|
4.7
|
0.5
|
1.0
|
|
CA
|
C:ASP305
|
4.8
|
80.9
|
1.0
|
|
H
|
C:GLY300
|
4.8
|
0.7
|
1.0
|
|
HB3
|
C:LEU332
|
4.9
|
0.1
|
1.0
|
|
CD2
|
C:LEU332
|
4.9
|
79.7
|
1.0
|
|
HA
|
C:LEU332
|
4.9
|
98.1
|
1.0
|
|
HB3
|
C:ASP301
|
4.9
|
0.9
|
1.0
|
|
HA
|
C:ASP305
|
4.9
|
97.1
|
1.0
|
|
CA
|
C:ASN299
|
4.9
|
86.8
|
1.0
|
|
HB3
|
C:ASN299
|
5.0
|
0.6
|
1.0
|
|
N
|
C:GLN333
|
5.0
|
85.7
|
1.0
|
|
N
|
C:GLY302
|
5.0
|
98.0
|
1.0
|
|
Calcium binding site 8 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 8 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca507
b:56.2
occ:1.00
|
O
|
C:TYR371
|
2.2
|
77.3
|
1.0
|
|
OD1
|
C:ASP367
|
2.4
|
76.0
|
1.0
|
|
OD1
|
C:ASP369
|
2.4
|
82.6
|
1.0
|
|
O
|
C:HOH606
|
2.4
|
48.4
|
1.0
|
|
OD1
|
C:ASP365
|
2.4
|
78.9
|
1.0
|
|
OD2
|
C:ASP373
|
2.4
|
79.0
|
1.0
|
|
OD1
|
C:ASP373
|
2.4
|
76.3
|
1.0
|
|
CG
|
C:ASP373
|
2.8
|
77.5
|
1.0
|
|
H
|
C:LEU366
|
3.2
|
86.4
|
1.0
|
|
H
|
C:ASP367
|
3.2
|
89.3
|
1.0
|
|
HA
|
C:ASP365
|
3.3
|
90.5
|
1.0
|
|
CG
|
C:ASP369
|
3.4
|
83.1
|
1.0
|
|
C
|
C:TYR371
|
3.4
|
79.0
|
1.0
|
|
H
|
C:TYR371
|
3.5
|
0.8
|
1.0
|
|
CG
|
C:ASP367
|
3.5
|
77.0
|
1.0
|
|
CG
|
C:ASP365
|
3.6
|
80.9
|
1.0
|
|
H
|
C:ASP369
|
3.6
|
0.5
|
1.0
|
|
OD2
|
C:ASP369
|
3.7
|
84.8
|
1.0
|
|
H
|
C:GLY394
|
3.8
|
86.8
|
1.0
|
|
N
|
C:LEU366
|
3.8
|
72.0
|
1.0
|
|
HB2
|
C:TYR371
|
3.9
|
99.2
|
1.0
|
|
HD22
|
C:LEU393
|
3.9
|
82.2
|
1.0
|
|
N
|
C:ASP367
|
4.0
|
74.4
|
1.0
|
|
OD2
|
C:ASP367
|
4.1
|
78.3
|
1.0
|
|
CA
|
C:ASP365
|
4.1
|
75.5
|
1.0
|
|
H
|
C:ARG368
|
4.2
|
96.5
|
1.0
|
|
HA
|
C:ASN372
|
4.2
|
90.0
|
1.0
|
|
HB3
|
C:LEU393
|
4.2
|
84.8
|
1.0
|
|
N
|
C:TYR371
|
4.2
|
84.9
|
1.0
|
|
CA
|
C:TYR371
|
4.3
|
82.7
|
1.0
|
|
CB
|
C:ASP373
|
4.3
|
72.7
|
1.0
|
|
C
|
C:ASP365
|
4.3
|
77.4
|
1.0
|
|
HB3
|
C:LEU366
|
4.3
|
81.8
|
1.0
|
|
C
|
C:ASN372
|
4.4
|
72.3
|
1.0
|
|
OD2
|
C:ASP365
|
4.4
|
86.6
|
1.0
|
|
N
|
C:ASN372
|
4.4
|
78.1
|
1.0
|
|
CB
|
C:ASP365
|
4.5
|
79.1
|
1.0
|
|
N
|
C:ASP369
|
4.5
|
85.4
|
1.0
|
|
CB
|
C:TYR371
|
4.5
|
82.7
|
1.0
|
|
CA
|
C:ASN372
|
4.6
|
75.0
|
1.0
|
|
N
|
C:GLY394
|
4.6
|
72.3
|
1.0
|
|
N
|
C:ARG368
|
4.6
|
80.5
|
1.0
|
|
N
|
C:ASP373
|
4.6
|
69.7
|
1.0
|
|
O
|
C:ASN372
|
4.6
|
72.8
|
1.0
|
|
CB
|
C:ASP369
|
4.6
|
86.3
|
1.0
|
|
HA
|
C:LEU393
|
4.7
|
82.2
|
1.0
|
|
HB2
|
C:ASP373
|
4.7
|
87.3
|
1.0
|
|
H
|
C:GLY370
|
4.7
|
0.6
|
1.0
|
|
HB3
|
C:ASP373
|
4.7
|
87.3
|
1.0
|
|
CB
|
C:ASP367
|
4.7
|
77.0
|
1.0
|
|
CA
|
C:LEU366
|
4.7
|
70.8
|
1.0
|
|
CA
|
C:ASP367
|
4.8
|
77.0
|
1.0
|
|
HB3
|
C:ASP369
|
4.8
|
0.5
|
1.0
|
|
H
|
C:ASP373
|
4.8
|
83.6
|
1.0
|
|
CD2
|
C:LEU393
|
4.9
|
68.5
|
1.0
|
|
C
|
C:LEU366
|
4.9
|
73.0
|
1.0
|
|
O
|
C:GLY364
|
4.9
|
70.3
|
1.0
|
|
HB3
|
C:TYR371
|
4.9
|
99.2
|
1.0
|
|
C
|
C:ASP367
|
4.9
|
80.2
|
1.0
|
|
CB
|
C:LEU366
|
4.9
|
68.2
|
1.0
|
|
HA3
|
C:GLY394
|
5.0
|
89.6
|
1.0
|
|
CA
|
C:ASP373
|
5.0
|
67.3
|
1.0
|
|
Calcium binding site 9 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 9 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca508
b:62.9
occ:1.00
|
O
|
C:TYR432
|
2.3
|
62.7
|
1.0
|
|
OD1
|
C:ASP428
|
2.3
|
68.9
|
1.0
|
|
OD1
|
C:ASP426
|
2.3
|
72.0
|
1.0
|
|
OD1
|
C:ASP434
|
2.3
|
79.3
|
1.0
|
|
OD2
|
C:ASP434
|
2.3
|
70.8
|
1.0
|
|
OD1
|
C:ASN430
|
2.4
|
69.9
|
1.0
|
|
O
|
C:HOH601
|
2.4
|
79.8
|
1.0
|
|
CG
|
C:ASP434
|
2.6
|
71.8
|
1.0
|
|
HA
|
C:ASP426
|
3.2
|
84.9
|
1.0
|
|
CG
|
C:ASP428
|
3.3
|
68.6
|
1.0
|
|
CG
|
C:ASN430
|
3.3
|
71.2
|
1.0
|
|
H
|
C:TYR432
|
3.4
|
82.9
|
1.0
|
|
C
|
C:TYR432
|
3.4
|
63.8
|
1.0
|
|
CG
|
C:ASP426
|
3.5
|
74.6
|
1.0
|
|
HB2
|
C:TYR432
|
3.5
|
80.0
|
1.0
|
|
H
|
C:ASP428
|
3.6
|
82.8
|
1.0
|
|
HD21
|
C:ASN430
|
3.6
|
87.7
|
1.0
|
|
OD2
|
C:ASP428
|
3.7
|
68.2
|
1.0
|
|
H
|
C:ASN430
|
3.7
|
80.5
|
1.0
|
|
H
|
C:ALA450
|
3.7
|
74.7
|
1.0
|
|
ND2
|
C:ASN430
|
3.9
|
73.0
|
1.0
|
|
H
|
C:ILE427
|
3.9
|
81.0
|
1.0
|
|
HB3
|
C:ALA450
|
4.0
|
76.6
|
1.0
|
|
CA
|
C:ASP426
|
4.0
|
70.7
|
1.0
|
|
N
|
C:TYR432
|
4.1
|
69.0
|
1.0
|
|
CB
|
C:ASP434
|
4.1
|
62.7
|
1.0
|
|
CA
|
C:TYR432
|
4.1
|
66.0
|
1.0
|
|
CB
|
C:TYR432
|
4.1
|
66.7
|
1.0
|
|
CB
|
C:ASP426
|
4.2
|
74.2
|
1.0
|
|
O
|
C:ALA450
|
4.2
|
66.3
|
1.0
|
|
HB3
|
C:TYR432
|
4.3
|
80.0
|
1.0
|
|
HG2
|
C:ARG449
|
4.3
|
74.1
|
1.0
|
|
N
|
C:ASP434
|
4.3
|
58.8
|
1.0
|
|
HB2
|
C:ASP426
|
4.3
|
89.1
|
1.0
|
|
OD2
|
C:ASP426
|
4.4
|
77.9
|
1.0
|
|
N
|
C:ILE427
|
4.4
|
67.5
|
1.0
|
|
C
|
C:PRO433
|
4.4
|
60.3
|
1.0
|
|
N
|
C:ASP428
|
4.4
|
69.0
|
1.0
|
|
H
|
C:ASP434
|
4.4
|
70.6
|
1.0
|
|
N
|
C:ALA450
|
4.4
|
62.2
|
1.0
|
|
HB2
|
C:ASP434
|
4.4
|
75.3
|
1.0
|
|
N
|
C:PRO433
|
4.5
|
63.5
|
1.0
|
|
HA
|
C:PRO433
|
4.5
|
74.0
|
1.0
|
|
H
|
C:ASP429
|
4.5
|
0.9
|
1.0
|
|
HG22
|
C:ILE427
|
4.5
|
75.0
|
1.0
|
|
HA
|
C:ARG449
|
4.5
|
72.9
|
1.0
|
|
CB
|
C:ASN430
|
4.5
|
68.5
|
1.0
|
|
N
|
C:ASN430
|
4.5
|
67.0
|
1.0
|
|
C
|
C:ASP426
|
4.5
|
70.4
|
1.0
|
|
HB3
|
C:ASN430
|
4.6
|
82.2
|
1.0
|
|
CA
|
C:ASP434
|
4.6
|
57.6
|
1.0
|
|
HB3
|
C:ASP434
|
4.6
|
75.3
|
1.0
|
|
CB
|
C:ASP428
|
4.7
|
69.2
|
1.0
|
|
HA
|
C:ASP434
|
4.7
|
69.2
|
1.0
|
|
CA
|
C:PRO433
|
4.7
|
61.7
|
1.0
|
|
HD22
|
C:ASN430
|
4.7
|
87.7
|
1.0
|
|
HB3
|
C:ARG449
|
4.8
|
74.9
|
1.0
|
|
O
|
C:PRO433
|
4.8
|
60.9
|
1.0
|
|
CB
|
C:ALA450
|
4.9
|
63.8
|
1.0
|
|
N
|
C:ASP429
|
4.9
|
84.9
|
1.0
|
|
CA
|
C:ASN430
|
4.9
|
68.4
|
1.0
|
|
CA
|
C:ASP428
|
5.0
|
73.4
|
1.0
|
|
H
|
C:GLY431
|
5.0
|
82.0
|
1.0
|
|
HB3
|
C:ASP428
|
5.0
|
83.0
|
1.0
|
|
Calcium binding site 10 out
of 11 in 5hdb
Go back to
Calcium Binding Sites List in 5hdb
Calcium binding site 10 out
of 11 in the Integrin ALPHAIIBBETA3 in Complex with Ro-435054
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Integrin ALPHAIIBBETA3 in Complex with Ro-435054 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca503
b:0.1
occ:1.00
|
O
|
D:MET335
|
2.4
|
94.3
|
1.0
|
|
OD1
|
D:ASP127
|
2.4
|
99.4
|
1.0
|
|
O
|
D:HOH2113
|
2.5
|
95.7
|
1.0
|
|
O
|
D:HOH2184
|
2.5
|
58.3
|
1.0
|
|
HB2
|
D:ASP126
|
3.1
|
0.3
|
1.0
|
|
O
|
D:SER123
|
3.4
|
89.6
|
1.0
|
|
CG
|
D:ASP127
|
3.5
|
99.8
|
1.0
|
|
C
|
D:MET335
|
3.6
|
88.9
|
1.0
|
|
HA
|
D:ASP336
|
3.6
|
0.2
|
1.0
|
|
HA
|
D:MET124
|
3.7
|
1.0
|
1.0
|
|
O
|
D:HOH2137
|
3.8
|
35.5
|
1.0
|
|
OD2
|
D:ASP127
|
3.8
|
97.3
|
1.0
|
|
CB
|
D:ASP126
|
4.0
|
0.6
|
1.0
|
|
H
|
D:ASP127
|
4.1
|
0.5
|
1.0
|
|
HB3
|
D:MET335
|
4.1
|
0.2
|
1.0
|
|
H
|
D:ASP126
|
4.2
|
0.2
|
1.0
|
|
HA
|
D:MET335
|
4.4
|
0.6
|
1.0
|
|
O
|
D:HOH2140
|
4.4
|
70.8
|
1.0
|
|
N
|
D:ASP127
|
4.4
|
98.0
|
1.0
|
|
HB3
|
D:ASP126
|
4.4
|
0.3
|
1.0
|
|
C
|
D:SER123
|
4.5
|
88.1
|
1.0
|
|
N
|
D:ASP336
|
4.5
|
0.7
|
1.0
|
|
CA
|
D:ASP336
|
4.5
|
92.6
|
1.0
|
|
CA
|
D:MET335
|
4.5
|
88.8
|
1.0
|
|
CA
|
D:MET124
|
4.6
|
90.0
|
1.0
|
|
OD2
|
D:ASP251
|
4.6
|
85.4
|
1.0
|
|
HE3
|
D:MET335
|
4.7
|
0.5
|
1.0
|
|
N
|
D:ASP126
|
4.7
|
98.5
|
1.0
|
|
CA
|
D:ASP126
|
4.8
|
0.8
|
1.0
|
|
CB
|
D:ASP127
|
4.8
|
0.3
|
1.0
|
|
CG
|
D:ASP126
|
4.8
|
0.9
|
1.0
|
|
C
|
D:ASP126
|
4.8
|
0.3
|
1.0
|
|
CB
|
D:MET335
|
4.8
|
0.5
|
1.0
|
|
HB3
|
D:ASP336
|
4.9
|
0.9
|
1.0
|
|
N
|
D:MET124
|
4.9
|
87.4
|
1.0
|
|
Reference:
F.Y.Lin,
J.Zhu,
E.T.Eng,
N.E.Hudson,
T.A.Springer.
Beta-Subunit Binding Is Sufficient For Ligands to Open the Integrin Alpha Iib Beta 3 Headpiece. J.Biol.Chem. V. 291 4537 2016.
ISSN: ESSN 1083-351X
PubMed: 26631735
DOI: 10.1074/JBC.M115.705624
Page generated: Sun Jul 14 20:00:21 2024
|
